SCHEMBL2880609

SCHEMBL2880609

O=S(=O)(NCCCc1ccccc1)c1cc(Br)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
GAA P10253 2/20 0.56
TP53 P04637 1/20 0.56
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 1/20 0.52
SLC12A2 P55011 1/20 0.52
SLC12A5 Q9H2X9 1/20 0.52
POLB P06746 1/20 0.49
GLA P06280 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2875837 0.92 LMNA (0.55) ALDH1A1GAATDP1KDM4ECYP1A2
SCHEMBL4521279 0.82 TDP1 (0.64) ALDH1A1GAATP53TDP1LMNA
SCHEMBL3913371 0.77 ALDH1A1 (0.79) ALDH1A1GAATP53KDM4ELMNA
SCHEMBL2875881 0.77 ALDH1A1 (0.58) ALDH1A1GAATP53TDP1KDM4E
SCHEMBL1287486 0.77 CYP1A2 (0.68) ALDH1A1GAATP53TDP1KDM4E
SCHEMBL2881016 0.76 ALDH1A1 (0.64) ALDH1A1TP53POLB
SCHEMBL2875009 0.76 ACLY (0.65) ALDH1A1LMNAPOLBGLA
SCHEMBL2875369 0.75 POLB (0.50) ALDH1A1GAATP53TDP1KDM4E
SCHEMBL2877986 0.74 CA12 (0.54) ALDH1A1POLBGLA
SCHEMBL3409768 0.74 GSTO1 (0.62) ALDH1A1GAAKDM4ELMNAPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066628-B1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2010-10-20 EP disclosed
US-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-07-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, CYSLTR2 ALDH1A1 1757/4885GAA 3522/4885TP53 3735/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.